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Home > Fluorides > 114112-86-6
114112-86-6 | Benzoic acid, 3-[4-(4-fluorobenzoyl)phenoxy]-
CAS No: 114112-86-6 Catalog No: AG000ALO MDL No:
Product Description
Catalog Number:
AG000ALO
Chemical Name:
Benzoic acid, 3-[4-(4-fluorobenzoyl)phenoxy]-
CAS Number:
114112-86-6
Molecular Formula:
C20H13FO4
Molecular Weight:
336.3132
IUPAC Name:
3-[4-(4-fluorobenzoyl)phenoxy]benzoic acid
InChI:
InChI=1S/C20H13FO4/c21-16-8-4-13(5-9-16)19(22)14-6-10-17(11-7-14)25-18-3-1-2-15(12-18)20(23)24/h1-12H,(H,23,24)
InChI Key:
JOBJWXJAVLKXCW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1ccc(cc1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.318g/mol
Monoisotopic Mass:
336.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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